N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-oxo-5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-oxo-5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-oxo-5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide
Compound characteristics
| Compound ID: | K279-0657 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-oxo-5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide |
| Molecular Weight: | 580.62 |
| Molecular Formula: | C30 H24 N6 O5 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)C1C(N=C2c3ccccc3N=C(N12)SCC1=CC(N2C=CC=CC2=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0778 |
| logD: | 2.0771 |
| logSw: | -2.9646 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.725 |
| InChI Key: | RUUHMYLEXFOVTE-QFIPXVFZSA-N |